CID 44578660

Chembl476334

Structural Information

Molecular Formula
C19H19NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C2=CNC3=CC(=C(C=C32)O)OC
InChI
InChI=1S/C19H19NO6/c1-23-15-8-13-11(7-14(15)21)12(9-20-13)18(22)10-5-16(24-2)19(26-4)17(6-10)25-3/h5-9,20-21H,1-4H3
InChIKey
KJQRQXULEOYSKP-UHFFFAOYSA-N
Compound name
(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

357.12125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12853 180.6
[M+Na]+ 380.11047 190.5
[M-H]- 356.11397 185.9
[M+NH4]+ 375.15507 194.0
[M+K]+ 396.08441 187.3
[M+H-H2O]+ 340.11851 172.8
[M+HCOO]- 402.11945 200.9
[M+CH3COO]- 416.13510 212.1
[M+Na-2H]- 378.09592 181.5
[M]+ 357.12070 188.8
[M]- 357.12180 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe